4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one

C12H21N3O — CID 61270755

IUPAC4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one
SMILESCCCc1c(N)c(=O)n(C(C)C2CC2)n1C
InChIInChI=1S/C12H21N3O/c1-4-5-10-11(13)12(16)15(14(10)3)8(2)9-6-7-9/h8-9H,4-7,13H2,1-3H3
InChIKeyLHJCCLXMTGIICE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one

4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one (PubChem CID 61270755) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one
PubChem CID61270755
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one
SMILESCCCc1c(N)c(=O)n(C(C)C2CC2)n1C
InChIInChI=1S/C12H21N3O/c1-4-5-10-11(13)12(16)15(14(10)3)8(2)9-6-7-9/h8-9H,4-7,13H2,1-3H3
InChIKeyLHJCCLXMTGIICE-UHFFFAOYSA-N
XLogP1.69
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one (CID 61270755) is 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one is CCCc1c(N)c(=O)n(C(C)C2CC2)n1C.
What is the InChIKey of 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one?
The InChIKey is LHJCCLXMTGIICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-10-11(13)12(16)15(14(10)3)8(2)9-6-7-9/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one?
4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-cyclopropylethyl)-1-methyl-5-propylpyrazol-3-one is sourced from PubChem (CID 61270755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).